CeRe4GeP

High-Entropy Materials HEA

MP-ID: mp-3247764 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

CeRe4GeP

MP-ID

mp-3247764

Elements

Sites

Density

14.0360

g/cm³

Volume

116.95

Å³

Cell a

7.3127

Cell b

7.3127

Cell c

4.0485

α Angle

90.00

β Angle

90.00

γ Angle

147.30

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
12.62	7.0170	100.0	(1,-1,0)
22.51	3.9504	1.2	(0,1,0)
22.51	3.9504	1.2	(1,0,0)
25.39	3.5085	2.8	(2,-2,0)
25.40	3.5067	2.0	(1,-1,1)
28.89	3.0905	2.0	(1,-2,0)
28.89	3.0905	2.0	(2,-1,0)
33.81	2.6514	14.0	(2,-2,1)
36.58	2.4565	87.8	(1,-2,1)
36.58	2.4565	87.8	(2,-1,1)
38.49	2.3390	14.9	(3,-3,0)
38.83	2.3191	2.5	(2,-3,0)
38.83	2.3191	2.5	(3,-2,0)
43.99	2.0584	39.4	(1,1,0)
44.75	2.0253	1.6	(3,-3,1)
44.77	2.0242	37.5	(0,0,2)
45.05	2.0123	31.9	(2,-3,1)
45.05	2.0123	31.9	(3,-2,1)
45.95	1.9752	4.4	(0,2,0)
45.95	1.9752	4.4	(2,0,0)
46.70	1.9449	8.3	(1,-1,2)
50.64	1.8025	3.4	(3,-4,0)
50.64	1.8025	3.4	(4,-3,0)
52.14	1.7543	9.8	(4,-4,0)

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Energy Properties

Formation Energy/atom

-0.51171

eV/atom

Energy/atom

-38.13416

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.1342

eV/atom

Volume/atom

16.71

Å³

c/a Ratio

0.5536

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2791

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002390

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Re · 0.571

Element Family

5d-TM

Solute Fraction

0.429

Interstitial Fraction

0.143

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1537

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.5922

J/mol·K

Ω Parameter

2.8979

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.378%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3126

smaller = more stable mixing

VEC

5.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.770

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8322

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcuka

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247764

Reference Citation

The crystal structure and related material properties of CeRe4GeP were obtained from the Materials Project database (MP-ID: mp-3247764, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_CeRe4GeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31271308
_cell_length_b   7.31271476
_cell_length_c   4.04846597
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.30239282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeRe4GeP
_chemical_formula_sum   'Ce1 Re4 Ge1 P1'
_cell_volume   116.95166298
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ce  Ce0  1  0.00253984  0.99746016  0.00000000  1.0
  Re  Re1  1  0.18278272  0.81721728  0.50000000  1.0
  Re  Re2  1  0.30195100  0.69804900  0.00000000  1.0
  Re  Re3  1  0.81265571  0.18734429  0.50000000  1.0
  Re  Re4  1  0.69085889  0.30914111  0.00000000  1.0
  Ge  Ge5  1  0.41656388  0.58343612  0.50000000  1.0
  P  P6  1  0.59264897  0.40735103  0.50000000  1.0

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